Improving reproducibility of cheminformatics workflows with chembl-downloader

Jupyter Notebook Python Submitted 07 July 2025Published 13 September 2025
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Editor: @espottesmith (all papers)
Reviewers: @PatWalters (all reviews), @dhimmel (all reviews)

Authors

Charles Tapley Hoyt (0000-0003-4423-4370)

Citation

Hoyt, C. T., (2025). Improving reproducibility of cheminformatics workflows with chembl-downloader. Journal of Open Source Software, 10(113), 8844, https://doi.org/10.21105/joss.08844

@article{Hoyt2025, doi = {10.21105/joss.08844}, url = {https://doi.org/10.21105/joss.08844}, year = {2025}, publisher = {The Open Journal}, volume = {10}, number = {113}, pages = {8844}, author = {Hoyt, Charles Tapley}, title = {Improving reproducibility of cheminformatics workflows with chembl-downloader}, journal = {Journal of Open Source Software} }
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chemistry computational chemistry cheminformatics pharmacology toxicology systems pharmacology systems toxicology systems medicine systems biology

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ISSN 2475-9066